(2-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone;hydrochloride

C15H21ClN2O2 — CID 119472958

IUPAC(2-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone;hydrochloride
SMILESC=CCOc1ccc(C(=O)N2CCNCC2C)cc1.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-3-10-19-14-6-4-13(5-7-14)15(18)17-9-8-16-11-12(17)2;/h3-7,12,16H,1,8-11H2,2H3;1H
InChIKeyNROIBEZTNCCVSD-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.11
Rot. Bonds4

About (2-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone;hydrochloride

(2-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone;hydrochloride (PubChem CID 119472958) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (2-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(2-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone;hydrochloride
PubChem CID119472958
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(2-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone;hydrochloride
SMILESC=CCOc1ccc(C(=O)N2CCNCC2C)cc1.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-3-10-19-14-6-4-13(5-7-14)15(18)17-9-8-16-11-12(17)2;/h3-7,12,16H,1,8-11H2,2H3;1H
InChIKeyNROIBEZTNCCVSD-UHFFFAOYSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-(cyclopropylmethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471413
[4-[2-(diethylamino)ethoxy]phenyl]-(2-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119473075
(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 119470393
(2-methylpiperazin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119472401
(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729058
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
[4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone
CID 62672938
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638
(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729059

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone;hydrochloride?
The IUPAC name of (2-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone;hydrochloride (CID 119472958) is (2-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for (2-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone;hydrochloride?
The canonical SMILES for (2-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone;hydrochloride is C=CCOc1ccc(C(=O)N2CCNCC2C)cc1.Cl.
What is the InChIKey of (2-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone;hydrochloride?
The InChIKey is NROIBEZTNCCVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.ClH/c1-3-10-19-14-6-4-13(5-7-14)15(18)17-9-8-16-11-12(17)2;/h3-7,12,16H,1,8-11H2,2H3;1H.
What are the key properties of (2-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone;hydrochloride?
(2-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 119472958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).